| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA204019
Max Phase: Preclinical
Molecular Formula: C10H12O2
Molecular Weight: 164.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(c1)C(O)CCO2
Standard InChI: InChI=1S/C10H12O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,11H,4-5H2,1H3
Standard InChI Key: IOWHBWAURDUJKJ-UHFFFAOYSA-N
Associated Targets(Human)
UDP-glucuronosyltransferase 2B17 197 Activities
UDP-glucuronosyltransferase 2B7 787 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 164.20 | Molecular Weight (Monoisotopic): 164.0837 | AlogP: 1.81 | #Rotatable Bonds: 0 |
| Polar Surface Area: 29.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.51 | CX LogD: 1.51 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.63 | Np Likeness Score: 0.40 |
References
| 1. Bichlmaier I, Siiskonen A, Finel M, Yli-Kauhaluoma J.. (2006) Stereochemical sensitivity of the human UDP-glucuronosyltransferases 2B7 and 2B17., 49 (5): [PMID:16509597] [10.1021/jm051142c] |
Source
Source(1):